SCHEMBL5717533

SCHEMBL5717533

COCCN1CCC(C(=O)OC)(S(=O)(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.47
MMP2 P08253 8/20 0.47
MMP1 P03956 6/20 0.47
MMP9 P14780 6/20 0.47
MMP14 P50281 5/20 0.47
MMP3 P08254 4/20 0.47
MMP8 P22894 4/20 0.47
MMP7 P09237 2/20 0.42
MAPT P10636 3/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ADAM17 P78536 2/20 0.39
DRD3 P35462 2/20 0.39
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5848378 0.85 MMP13 (0.44) MMP13MMP2MMP1MMP9MMP14
SCHEMBL6099625 0.81 MMP13 (0.52) MMP13MMP2MMP1MMP9MMP14
SCHEMBL6097144 0.79 MMP13 (0.60) MMP13MMP2MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL5717397 0.78 MMP13 (0.50) MMP13MMP2MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL5841394 0.78 MMP13 (0.49) MMP13MMP2MMP1MMP9MMP14
SCHEMBL5844573 0.77 S1PR1 (0.45) MMP13MMP2MMP1MMP9MMP14
SCHEMBL5846699 0.76 S1PR1 (0.49) MMP13MMP2MMP1MMP9MMP14
Hydrochloric Acid SCHEMBL5841149 0.75 MMP9 (0.52) MMP13MMP2MMP1MMP9MMP14
SCHEMBL5846750 0.75 MMP9 (0.41) MMP13MMP2MMP1MMP9MMP14
SCHEMBL5845551 0.74 MMP9 (0.43) MMP13MMP2MMP1MMP9MMP14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
EP-1689743-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2006-08-16 EP disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MMP13 6/4885MMP2 4/4885MMP1 1/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 MMP13 6/4885MMP2 4/4885MMP1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.